Molecule ID: mol9428
SMILES: CCC(=NO)C(C)=O
InChI: InChI=1S/C5H9NO2/c1-3-5(6-8)4(2)7/h8H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.38 | IUPAC digitized pKa | 0 » -1 |
| 9.38 | Datawarrior | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |